Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ME2 | P23368 | 1/20 | 0.48 |
| ▸ | ME1 | P48163 | 1/20 | 0.48 |
| ▸ | ME3 | Q16798 | 1/20 | 0.48 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL793647 | 0.84 | ALDH1A1 (0.68) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL210978 | 0.83 | ALDH1A1 (0.67) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6893687 | 0.77 | ALDH1A1 (0.79) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4558670 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9157740 | 0.75 | KMT2A (0.66) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| SCHEMBL5336810 | 0.73 | ALDH1A1 (0.74) | ALDH1A1NPC1MEN1KMT2ALMNA | |
| SCHEMBL14192211 | 0.73 | ALDH1A1 (0.72) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9099124 | 0.72 | KDM4E (0.42) | ALDH1A1NPC1KDM4EMEN1KMT2A | |
| SCHEMBL7282542 | 0.72 | SIGMAR1 (0.58) | ALDH1A1NPC1MEN1KMT2ATP53 | |
| SCHEMBL7278718 | 0.72 | ALDH1A1 (0.62) | ALDH1A1NPC1KDM4EMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874573-A | Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy | CONCAT, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-1382332-A1 | Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent | Chelator LLC (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6469162-B1 | SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY | CONCAT, LTD. | 2002-10-22 | — | — | US | disclosed |
| US-6165996-A | Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis | CONCAT, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| EP-0955044-A2 | Method of inhibiting bacterial or fungal growth using a complexing agent | CONCAT LTD. (US) | 1999-11-10 | — | — | EP | disclosed |
| EP-0841951-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT LTD. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |
| WO-1997001360-A2 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | CONCAT, LTD. (US) | 1997-01-16 | — | — | WO | disclosed |